Compound Detail
CHEMBL1372606
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Basic Information
| ChEMBL ID | CHEMBL1372606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUQCLGVVZSZYCT-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
2.95
ALogP
5
HBA
4
HBD
99.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.32
IC50 1 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.32 | 6.32 | 479.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.25 | 6.25 | 556.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.2 | 5.2 | 6305.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.29 | 4.29 | 51921.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 479.0 | nM | 6.32 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 556.0 | nM | 6.25 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 6305.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | IC50 | = | 51921.0 | nM | 4.29 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
Data from ChEMBL 36 via Core Engine